1-(2-phenylmethoxyethyl)piperazine;dihydrochloride

C13H22Cl2N2O — CID 154704526

IUPAC1-(2-phenylmethoxyethyl)piperazine;dihydrochloride
SMILESCl.Cl.c1ccc(COCCN2CCNCC2)cc1
InChIInChI=1S/C13H20N2O.2ClH/c1-2-4-13(5-3-1)12-16-11-10-15-8-6-14-7-9-15;;/h1-5,14H,6-12H2;2*1H
InChIKeyLNJAEPTVJQBWQG-UHFFFAOYSA-N
MW293.24 g/mol
LogP1.95
Rot. Bonds5

About 1-(2-phenylmethoxyethyl)piperazine;dihydrochloride

1-(2-phenylmethoxyethyl)piperazine;dihydrochloride (PubChem CID 154704526) has the molecular formula C13H22Cl2N2O and a molecular weight of 293.24 g/mol. Its IUPAC name is 1-(2-phenylmethoxyethyl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-(2-phenylmethoxyethyl)piperazine;dihydrochloride
PubChem CID154704526
Molecular FormulaC13H22Cl2N2O
Molecular Weight293.24 g/mol
Exact Mass292.11
IUPAC Name1-(2-phenylmethoxyethyl)piperazine;dihydrochloride
SMILESCl.Cl.c1ccc(COCCN2CCNCC2)cc1
InChIInChI=1S/C13H20N2O.2ClH/c1-2-4-13(5-3-1)12-16-11-10-15-8-6-14-7-9-15;;/h1-5,14H,6-12H2;2*1H
InChIKeyLNJAEPTVJQBWQG-UHFFFAOYSA-N
XLogP1.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
benzyl N-[2-(2-piperazin-1-ylethoxy)ethyl]carbamate
CID 138695504
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine
CID 10732658
1-[2-(naphthalen-1-ylmethoxy)ethyl]piperazine
CID 82353012
oxalic acid;1-[2-(4-phenylmethoxyphenoxy)ethyl]piperazine
CID 2944466
methyl 3-(2-piperazin-1-ylethoxymethyl)benzoate
CID 82353020
bis(3-[4-(2-phenylmethoxyethyl)piperazin-1-yl]propanoic acid);hydrate
CID 156599366
oxalic acid;1-[3-(4-phenylmethoxyphenoxy)propyl]piperazine
CID 2944148
1-(3-phenoxypropyl)piperazine
CID 2760351
8-(2-phenylmethoxyethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 130536954

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylmethoxyethyl)piperazine;dihydrochloride?
The IUPAC name of 1-(2-phenylmethoxyethyl)piperazine;dihydrochloride (CID 154704526) is 1-(2-phenylmethoxyethyl)piperazine;dihydrochloride.
What is the SMILES notation for 1-(2-phenylmethoxyethyl)piperazine;dihydrochloride?
The canonical SMILES for 1-(2-phenylmethoxyethyl)piperazine;dihydrochloride is Cl.Cl.c1ccc(COCCN2CCNCC2)cc1.
What is the InChIKey of 1-(2-phenylmethoxyethyl)piperazine;dihydrochloride?
The InChIKey is LNJAEPTVJQBWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.2ClH/c1-2-4-13(5-3-1)12-16-11-10-15-8-6-14-7-9-15;;/h1-5,14H,6-12H2;2*1H.
What are the key properties of 1-(2-phenylmethoxyethyl)piperazine;dihydrochloride?
1-(2-phenylmethoxyethyl)piperazine;dihydrochloride has a molecular weight of 293.24 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylmethoxyethyl)piperazine;dihydrochloride is sourced from PubChem (CID 154704526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).